3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane

C13H19F7O2 — CID 58895592

IUPAC3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane
SMILESCCOCOC1(C(F)F)CC(CC)C(F)(C(C)(F)F)C1(F)F
InChIInChI=1S/C13H19F7O2/c1-4-8-6-11(9(14)15,22-7-21-5-2)13(19,20)12(8,18)10(3,16)17/h8-9H,4-7H2,1-3H3
InChIKeySDTYWIJKDRXFSO-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.43
Rot. Bonds7

About 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane

3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane (PubChem CID 58895592) has the molecular formula C13H19F7O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane
PubChem CID58895592
Molecular FormulaC13H19F7O2
Molecular Weight340.28 g/mol
Exact Mass340.13
IUPAC Name3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane
SMILESCCOCOC1(C(F)F)CC(CC)C(F)(C(C)(F)F)C1(F)F
InChIInChI=1S/C13H19F7O2/c1-4-8-6-11(9(14)15,22-7-21-5-2)13(19,20)12(8,18)10(3,16)17/h8-9H,4-7H2,1-3H3
InChIKeySDTYWIJKDRXFSO-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane (CID 58895592) is 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane is CCOCOC1(C(F)F)CC(CC)C(F)(C(C)(F)F)C1(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane?
The InChIKey is SDTYWIJKDRXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F7O2/c1-4-8-6-11(9(14)15,22-7-21-5-2)13(19,20)12(8,18)10(3,16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane?
3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane has a molecular weight of 340.28 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane is sourced from PubChem (CID 58895592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).